1H-indole-2,5-diol

C8H7NO2 — CID 45082883

IUPAC1H-indole-2,5-diol
SMILESOc1ccc2[nH]c(O)cc2c1
InChIInChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-4,9-11H
InChIKeyWCMNKJSRZUKXDL-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.58
Rot. Bonds

About 1H-indole-2,5-diol

1H-indole-2,5-diol (PubChem CID 45082883) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 1H-indole-2,5-diol.

Molecular Properties

Compound Name1H-indole-2,5-diol
PubChem CID45082883
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name1H-indole-2,5-diol
SMILESOc1ccc2[nH]c(O)cc2c1
InChIInChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-4,9-11H
InChIKeyWCMNKJSRZUKXDL-UHFFFAOYSA-N
XLogP1.58
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indole-2,5-diol?
The IUPAC name of 1H-indole-2,5-diol (CID 45082883) is 1H-indole-2,5-diol.
What is the SMILES notation for 1H-indole-2,5-diol?
The canonical SMILES for 1H-indole-2,5-diol is Oc1ccc2[nH]c(O)cc2c1.
What is the InChIKey of 1H-indole-2,5-diol?
The InChIKey is WCMNKJSRZUKXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-4,9-11H.
What are the key properties of 1H-indole-2,5-diol?
1H-indole-2,5-diol has a molecular weight of 149.15 g/mol, XLogP of 1.58, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-2,5-diol is sourced from PubChem (CID 45082883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).